tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate

C14H28N2O2 — CID 125456848

IUPACtert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate
SMILESCC(C)N(C)[C@H]1CNC[C@@H](C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-10(2)16(6)12-7-11(8-15-9-12)13(17)18-14(3,4)5/h10-12,15H,7-9H2,1-6H3/t11-,12+/m0/s1
InChIKeyHXDVKDWVSZBBNL-NWDGAFQWSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds3

About tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate

tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate (PubChem CID 125456848) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate
PubChem CID125456848
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate
SMILESCC(C)N(C)[C@H]1CNC[C@@H](C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-10(2)16(6)12-7-11(8-15-9-12)13(17)18-14(3,4)5/h10-12,15H,7-9H2,1-6H3/t11-,12+/m0/s1
InChIKeyHXDVKDWVSZBBNL-NWDGAFQWSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate?
The IUPAC name of tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate (CID 125456848) is tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate?
The canonical SMILES for tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate is CC(C)N(C)[C@H]1CNC[C@@H](C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate?
The InChIKey is HXDVKDWVSZBBNL-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)16(6)12-7-11(8-15-9-12)13(17)18-14(3,4)5/h10-12,15H,7-9H2,1-6H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate?
tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate is sourced from PubChem (CID 125456848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).